AG000XI7

127892-62-0 | 1H-Pyrazole-5-carboxylic acid, 4-chloro-3-ethyl-1-methyl-

AG000XI7

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CAS Number	127892-62-0
Catalog Number	AG000XI7(AGN-PC-002HTR)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 4-chloro-3-ethyl-1-methyl-
IUPAC Name	4-chloro-5-ethyl-2-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C7H9ClN2O2/c1-3-4-5(8)6(7(11)12)10(2)9-4/h3H2,1-2H3,(H,11,12)
InChI Key	NXAIFVHVBHMNJS-UHFFFAOYSA-N
MDL Number	MFCD08459057
Molecular Formula	C7H9ClN2O2
Molecular Weight	188.6116
SMILES	CCC1=NN(C)C(C(O)=O)=C1Cl
Synonyms	127892-62-0, 4-CHLORO-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID, 1H-Pyrazole-5-carboxylic acid, 4-chloro-3-ethyl-1-methyl-, 1H-Pyrazole-5-carboxylicacid, 4-chloro-3-ethyl-1-methyl-, 4-Chloro-5-ethyl-2-methyl-2H-pyrazole-3-carboxylic acid, ACMC-1BXK0, SCHEMBL4768937, CTK0H4311, DTXSID60563848, NXAIFVHVBHMNJS-UHFFFAOYSA-N, 5380AA, ANW-66372, MFCD08459057, ZINC14985145, AKOS006291223, VP20106, KS-0000020Y, AJ-66329, AK-56266, AN-32612, DS-14982, DB-062617, TC-155117, TL8000686, FT-0762630, ST24043577, 892C620, A805764, 4-chloro-3-ethyl-1-methyl pyrazole-5-carboxylic acid, 4-chloro-5-ethyl-2-methyl-3-pyrazolecarboxylic acid, 4-chloro-5-ethyl-2-methyl-pyrazole-3-carboxylic acid, 4-chloranyl-5-ethyl-2-methyl-pyrazole-3-carboxylic acid, 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylicacid, 4-chloro -3-ethyl -1-methyl -1H-pyrazole-5-carboxylic acid, C7H9ClN2O2, (S)-3-(1-aminoethyl)benzonitrile, ACN-039743, 1-Methyl-3-ethyl-4-chloro-5-carboxy-pyrazole,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.611g/mol
Monoisotopic Mass	188.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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